2-(2,3,4,5-tetrafluorophenyl)-4,5-dihydro-1,3-oxazole

C9H5F4NO — CID 102025472

IUPAC2-(2,3,4,5-tetrafluorophenyl)-4,5-dihydro-1,3-oxazole
SMILESFc1cc(C2=NCCO2)c(F)c(F)c1F
InChIInChI=1S/C9H5F4NO/c10-5-3-4(9-14-1-2-15-9)6(11)8(13)7(5)12/h3H,1-2H2
InChIKeyQVYCCGDCMVMJJL-UHFFFAOYSA-N
MW219.14 g/mol
LogP2.02
Rot. Bonds1

About 2-(2,3,4,5-tetrafluorophenyl)-4,5-dihydro-1,3-oxazole

2-(2,3,4,5-tetrafluorophenyl)-4,5-dihydro-1,3-oxazole (PubChem CID 102025472) has the molecular formula C9H5F4NO and a molecular weight of 219.14 g/mol. Its IUPAC name is 2-(2,3,4,5-tetrafluorophenyl)-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name2-(2,3,4,5-tetrafluorophenyl)-4,5-dihydro-1,3-oxazole
PubChem CID102025472
Molecular FormulaC9H5F4NO
Molecular Weight219.14 g/mol
Exact Mass219.03
IUPAC Name2-(2,3,4,5-tetrafluorophenyl)-4,5-dihydro-1,3-oxazole
SMILESFc1cc(C2=NCCO2)c(F)c(F)c1F
InChIInChI=1S/C9H5F4NO/c10-5-3-4(9-14-1-2-15-9)6(11)8(13)7(5)12/h3H,1-2H2
InChIKeyQVYCCGDCMVMJJL-UHFFFAOYSA-N
XLogP2.02
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.14
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 2-(2,3,4,5-tetrafluorophenyl)-4,5-dihydro-1,3-oxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2,3,4,5-tetrafluorophenyl)-4,5-dihydro-1,3-oxazole?
The IUPAC name of 2-(2,3,4,5-tetrafluorophenyl)-4,5-dihydro-1,3-oxazole (CID 102025472) is 2-(2,3,4,5-tetrafluorophenyl)-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 2-(2,3,4,5-tetrafluorophenyl)-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 2-(2,3,4,5-tetrafluorophenyl)-4,5-dihydro-1,3-oxazole is Fc1cc(C2=NCCO2)c(F)c(F)c1F.
What is the InChIKey of 2-(2,3,4,5-tetrafluorophenyl)-4,5-dihydro-1,3-oxazole?
The InChIKey is QVYCCGDCMVMJJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5F4NO/c10-5-3-4(9-14-1-2-15-9)6(11)8(13)7(5)12/h3H,1-2H2.
What are the key properties of 2-(2,3,4,5-tetrafluorophenyl)-4,5-dihydro-1,3-oxazole?
2-(2,3,4,5-tetrafluorophenyl)-4,5-dihydro-1,3-oxazole has a molecular weight of 219.14 g/mol, XLogP of 2.02, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3,4,5-tetrafluorophenyl)-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 102025472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).